4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole

C16H12N4OS — CID 3301879

IUPAC4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1
InChIInChI=1S/C16H12N4OS/c1-11-18-14(10-22-11)12-4-6-13(7-5-12)20-15(9-17-19-20)16-3-2-8-21-16/h2-10H,1H3
InChIKeyFXAPHPVFKOTDSV-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.96
Rot. Bonds3

About 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole

4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole (PubChem CID 3301879) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
PubChem CID3301879
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1
InChIInChI=1S/C16H12N4OS/c1-11-18-14(10-22-11)12-4-6-13(7-5-12)20-15(9-17-19-20)16-3-2-8-21-16/h2-10H,1H3
InChIKeyFXAPHPVFKOTDSV-UHFFFAOYSA-N
XLogP3.96
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole (CID 3301879) is 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(-n3nncc3-c3ccco3)cc2)cs1.
What is the InChIKey of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
The InChIKey is FXAPHPVFKOTDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-11-18-14(10-22-11)12-4-6-13(7-5-12)20-15(9-17-19-20)16-3-2-8-21-16/h2-10H,1H3.
What are the key properties of 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole?
4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole has a molecular weight of 308.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 3301879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).